SCHEMBL6086447

SCHEMBL6086447

COc1cccc(Cn2c(Oc3cc(C)cc(C)c3)c(C(C)C)c(=O)[nH]c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
MIF P14174 2/20 0.43
CMA1 P23946 1/20 0.43
DAO P14920 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
CD74 P04233 1/20 0.42
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTOR P42345 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6088314 0.90 MTNR1A (0.37) MTNR1AMTNR1BDAOGRIN1GRIN2B
SCHEMBL6086817 0.88 HPGD (0.43) HSD17B10KMT2AALDH1A1MEN1TSHR
SCHEMBL6087128 0.87 TPH1 (0.34) DAOGRIN1GRIN2BKMT2AALDH1A1
SCHEMBL6087068 0.86 DAO (0.46) DAOKMT2AALDH1A1MEN1TSHR
SCHEMBL6087484 0.85 GRIN1 (0.43) GRIN1GRIN2BKMT2APIK3R1PIK3CA
SCHEMBL6086483 0.84 MTNR1A (0.50) MTNR1AMTNR1BMIFCMA1DAO
SCHEMBL6086860 0.84 ALDH1A1 (0.37) DAOKMT2AALDH1A1MEN1TSHR
SCHEMBL7837526 0.83 MTNR1A (0.52) MTNR1AMTNR1BMIFCMA1HSD17B10
SCHEMBL6086769 0.82 GRIN1 (0.43) GRIN1GRIN2BKMT2AALDH1A1MEN1
SCHEMBL6086491 0.82 PDE5A (0.33) KMT2AALDH1A1MEN1TSHRHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed